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Designing neural network architectures that can handle data symmetry is crucial. This is especially important for geometric graphs whose properties are equivariance under Euclidean transformations. Current equivariant graph neural networks…

Machine Learning · Computer Science 2025-03-14 Viet-Hoang Tran , Thieu N. Vo , Tho Tran Huu , Tan Minh Nguyen

Most current deep learning models equivariant to $O(n)$ or $SO(n)$ either consider mostly scalar information such as distances and angles or have a very high computational complexity. In this work, we test a few novel message passing graph…

Machine Learning · Computer Science 2024-07-11 Cong Liu , David Ruhe , Patrick Forré

We introduce Clifford Group Equivariant Neural Networks: a novel approach for constructing $\mathrm{O}(n)$- and $\mathrm{E}(n)$-equivariant models. We identify and study the $\textit{Clifford group}$, a subgroup inside the Clifford algebra…

Machine Learning · Computer Science 2023-10-24 David Ruhe , Johannes Brandstetter , Patrick Forré

This paper presents $\mathrm{E}(n)$ Equivariant Message Passing Simplicial Networks (EMPSNs), a novel approach to learning on geometric graphs and point clouds that is equivariant to rotations, translations, and reflections. EMPSNs can…

Machine Learning · Computer Science 2023-10-24 Floor Eijkelboom , Rob Hesselink , Erik Bekkers

Clifford Group Equivariant Neural Networks (CGENNs) leverage Clifford algebras and multivectors as an alternative approach to incorporating group equivariance to ensure symmetry constraints in neural representations. In principle, this…

Machine Learning · Computer Science 2025-06-11 Riccardo Ali , Paulina Kulytė , Haitz Sáez de Ocáriz Borde , Pietro Liò

Including covariant information, such as position, force, velocity or spin is important in many tasks in computational physics and chemistry. We introduce Steerable E(3) Equivariant Graph Neural Networks (SEGNNs) that generalise equivariant…

Machine Learning · Computer Science 2022-03-29 Johannes Brandstetter , Rob Hesselink , Elise van der Pol , Erik J Bekkers , Max Welling

This paper explores leveraging the Clifford algebra's expressive power for $\E(n)$-equivariant diffusion models. We utilize the geometric products between Clifford multivectors and the rich geometric information encoded in Clifford…

Machine Learning · Computer Science 2025-04-25 Cong Liu , Sharvaree Vadgama , David Ruhe , Erik Bekkers , Patrick Forré

This paper introduces E(n) Equivariant Message Passing Cellular Networks (EMPCNs), an extension of E(n) Equivariant Graph Neural Networks to CW-complexes. Our approach addresses two aspects of geometric message passing networks: 1)…

Machine Learning · Computer Science 2024-07-19 Veljko Kovač , Erik J. Bekkers , Pietro Liò , Floor Eijkelboom

Euclidean deep learning is often inadequate for addressing real-world signals where the representation space is irregular and curved with complex topologies. Interpreting the geometric properties of such feature spaces has become paramount…

Computer Vision and Pattern Recognition · Computer Science 2024-09-12 Ramzan Basheer , Deepak Mishra

Data over non-Euclidean manifolds, often discretized as surface meshes, naturally arise in computer graphics and biological and physical systems. In particular, solutions to partial differential equations (PDEs) over manifolds depend…

Machine Learning · Computer Science 2023-11-06 Jung Yeon Park , Lawson L. S. Wong , Robin Walters

This work proposes a geometric insight into equivariant message passing on Riemannian manifolds. As previously proposed, numerical features on Riemannian manifolds are represented as coordinate-independent feature fields on the manifold. To…

Machine Learning · Statistics 2023-10-17 Ilyes Batatia

Geometric deep learning extends deep learning to incorporate information about the geometry and topology data, especially in complex domains like graphs. Despite the popularity of message passing in this field, it has limitations such as…

Machine Learning · Computer Science 2024-03-18 Kelly Maggs , Celia Hacker , Bastian Rieck

Equivariance has been a long-standing concern in various fields ranging from computer vision to physical modeling. Most previous methods struggle with generality, simplicity, and expressiveness -- some are designed ad hoc for specific data…

Computer Vision and Pattern Recognition · Computer Science 2022-03-29 Shitong Luo , Jiahan Li , Jiaqi Guan , Yufeng Su , Chaoran Cheng , Jian Peng , Jianzhu Ma

Message passing neural networks have become a method of choice for learning on graphs, in particular the prediction of chemical properties and the acceleration of molecular dynamics studies. While they readily scale to large training data…

Machine Learning · Computer Science 2021-06-08 Kristof T. Schütt , Oliver T. Unke , Michael Gastegger

Message-passing has proved to be an effective way to design graph neural networks, as it is able to leverage both permutation equivariance and an inductive bias towards learning local structures in order to achieve good generalization.…

Machine Learning · Computer Science 2020-10-26 Clement Vignac , Andreas Loukas , Pascal Frossard

Many scientific problems require to process data in the form of geometric graphs. Unlike generic graph data, geometric graphs exhibit symmetries of translations, rotations, and/or reflections. Researchers have leveraged such inductive bias…

Machine Learning · Computer Science 2022-02-23 Jiaqi Han , Yu Rong , Tingyang Xu , Wenbing Huang

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of…

Machine Learning · Computer Science 2024-03-18 Erik J Bekkers , Sharvaree Vadgama , Rob D Hesselink , Putri A van der Linden , David W Romero

We propose, implement, and compare with competitors a new architecture of equivariant neural networks based on geometric (Clifford) algebras: Generalized Lipschitz Group Equivariant Neural Networks (GLGENN). These networks are equivariant…

Machine Learning · Computer Science 2025-12-04 Ekaterina Filimoshina , Dmitry Shirokov

In numerous applications of geometric deep learning, the studied systems exhibit spatial symmetries and it is desirable to enforce these. For the symmetry of global rotations and reflections, this means that the model should be equivariant…

Machine Learning · Computer Science 2025-03-06 Peter Lippmann , Gerrit Gerhartz , Roman Remme , Fred A. Hamprecht

Spherical equivariant graph neural networks (EGNNs) provide a principled framework for learning on three-dimensional molecular and biomolecular systems, where predictions must respect the rotational symmetries inherent in physics. These…

Machine Learning · Computer Science 2025-12-17 Sophia Tang
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